1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

C18H23NS — CID 64625685

IUPAC1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H23NS/c1-13-6-5-7-16(10-13)20-12-18(19-4)17-11-14(2)8-9-15(17)3/h5-11,18-19H,12H2,1-4H3
InChIKeyKHQKLYCSMGQASH-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.66
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 64625685) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
PubChem CID64625685
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)c1cc(C)ccc1C
InChIInChI=1S/C18H23NS/c1-13-6-5-7-16(10-13)20-12-18(19-4)17-11-14(2)8-9-15(17)3/h5-11,18-19H,12H2,1-4H3
InChIKeyKHQKLYCSMGQASH-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 66086804
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 103395624
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylethanamine
CID 64626032
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 102647649
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (CID 64625685) is 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is CNC(CSc1cccc(C)c1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is KHQKLYCSMGQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-6-5-7-16(10-13)20-12-18(19-4)17-11-14(2)8-9-15(17)3/h5-11,18-19H,12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 64625685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).